Atomic Van der Waal repulsion and Lennard Jones potential

AI Thread Summary
The discussion centers on the theoretical derivation of the Lennard-Jones potential, specifically the formula V = ε[(δ/r)^{12} - 2(δ/r)^{6}]. J.E. Lennard-Jones's article "Cohesion" from the Proceedings of the Physical Society is mentioned as a primary source, along with various academic lectures and notes. The contributors clarify that the 1/r^{12} term is a numerical convenience, while the 1/r^{6} term arises from perturbative treatment of dipole-dipole interactions. Additional references include "Molecular Quantum Electrodynamics" by Craig and Thirunamachandran and a comprehensive QM textbook by Cohen-Tannoudji et al. These resources provide detailed insights into the derivation and implications of the Lennard-Jones potential.
LCSphysicist
Messages
644
Reaction score
162
Hello there. Do you know any paper that derive the Lennard Jones potential ##V = \epsilon [(\delta / r)^{12}-2(\delta / r)^6]## theorically? If you know a book instead, let me know. Thank you
 
Last edited:
Physics news on Phys.org
Apparently, J E Lennard-Jones discusses some details in an article entitled, Cohesion, in the Proceedings of the Physical Society (1926-1948)
https://iopscience.iop.org/article/10.1088/0959-5309/43/5/301 (must be purchased or accessed through one institution)

Otherwise, one can find notes in various university or academic lectures.
https://chem.libretexts.org/Bookshe...Specific_Interactions/Lennard-Jones_Potential

https://chem.libretexts.org/Bookshe...cific_Interactions/Dipole-Dipole_Interactions

The Wikipedia article seems consistent with some academic notes I reviewed.
https://en.wikipedia.org/wiki/Lennard-Jones_potential#Physical_background_and_mathematical_details
 
The ##\frac{1}{r^{12}}## portion is not physical--it's just a numerically convenient way to approximate a rapidly increasing function. It's a vestige from a time when computers were much much slower.

The ##\frac{1}{r^6}## portion comes from treating the dipole-dipole interaction perturbatively to second order. This is actually the short-distance limit of the full interaction, not taking into account retardation effects. The full derivation in all its gory details of both short (London) and long (Casimir-Polder) limits is given in "Molecular Quantum Electrodynamics" by Craig and Thirunamachandran (p. 152ff): https://www.google.com/books/editio...rpbdozIZt3sC?hl=en&gbpv=1&printsec=frontcover
 
  • Like
  • Love
Likes Astronuc, vanhees71, Demystifier and 1 other person
TeethWhitener said:
The ##\frac{1}{r^6}## portion comes from treating the dipole-dipole interaction perturbatively to second order. This is actually the short-distance limit of the full interaction, not taking into account retardation effects. The full derivation in all its gory details of both short (London) and long (Casimir-Polder) limits is given in "Molecular Quantum Electrodynamics" by Craig and Thirunamachandran (p. 152ff): https://www.google.com/books/editio...rpbdozIZt3sC?hl=en&gbpv=1&printsec=frontcover
A derivation can also be found in the 3-volume QM textbook by Cohen-Tannoudji, Diu and Laloe, Chapter XI.C.
 
  • Like
Likes vanhees71 and TeethWhitener
I'm looking at a book called python crash course for beginners (eric mathes), does anyone have experience of using this book or any other book that you would recommend for learning python if not that, is there a specific course you'd suggest that isn't in book form? I'm completely new to programming if it helps. So i need a gameplan for learning it quite quickly for my undergrad studies
Back
Top